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252832

Sigma-Aldrich

Tropone

97%

Synonym(s):

2,4,6-Cycloheptatrien-1-one

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About This Item

Empirical Formula (Hill Notation):
C7H6O
CAS Number:
539-80-0
Molecular Weight:
106.12
Beilstein:
1902335
EC Number:
208-725-6
MDL number:
MFCD00014331
UNSPSC Code:
12352100
PubChem Substance ID:
24855242
NACRES:
NA.22

Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.615 (lit.)

bp

113 °C/15 mmHg (lit.)

density

1.094 g/mL at 25 °C (lit.)

functional group

ketone

storage temp.

−20°C

SMILES string

O=C1C=CC=CC=C1

InChI

1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H

InChI key

QVWDCTQRORVHHT-UHFFFAOYSA-N

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General description

Metal-catalyzed [6+3] cycloaddition of tropone with azomethine ylides has been reported.

Application

Tropone has been used in synthesis of:
  • bicyclic δ-lactones via heterocyclic carbine-catalyzed [8+3] annulation pathway
  • 6,7-benzobicyclo [3.2.2] nona-3,6,8-trien-2-one via thermal addition to bezyne

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ2415
MKCJ3829
MKCG2447
MKCC2486
MKBV4204V

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